1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone

Systemtic Name: 1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone Openeye Name: 1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone CAS Name: 1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone IUPAC Name: 1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone Traditional Name: 1-[2-(3-chlorophenyl)-1,3-dithian-2-yl]ethanone Formula: C12H13ClOS2 MolecularWeight: 272.81402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(SCCCS1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)C1(SCCCS1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H13ClOS2/c1-9(14)12(15-6-3-7-16-12)10-4-2-5-11(13)8-10/h2,4-5,8H,3,6-7H2,1H3